4-[[3-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonyl-imidazol-4-yl]methyl]-1-phenyl-piperazin-4-ium-2-one

Systemtic Name: 4-[[3-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonyl-imidazol-4-yl]methyl]-1-phenyl-piperazin-4-ium-2-one Openeye Name: 1-phenyl-4-[[2-propylsulfonyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]piperazin-4-ium-2-one CAS Name: 4-[[3-[[(2R)-2-oxolanyl]methyl]-2-propylsulfonyl-4-imidazolyl]methyl]-1-phenyl-2-piperazin-4-iumone IUPAC Name: 4-[[3-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonylimidazol-4-yl]methyl]-1-phenylpiperazin-4-ium-2-one Traditional Name: 1-phenyl-4-[[2-propylsulfonyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]piperazin-4-ium-2-one Formula: C22H31N4O4S+ MolecularWeight: 447.57094

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=NC=C(N1CC2CCCO2)C[NH+]3CCN(C(=O)C3)C4=CC=CC=C4

Isomeric SMILES

CCCS(=O)(=O)C1=NC=C(N1C[C@H]2CCCO2)C[NH+]3CCN(C(=O)C3)C4=CC=CC=C4

InChI

InChI=1S/C22H30N4O4S/c1-2-13-31(28,29)22-23-14-19(26(22)16-20-9-6-12-30-20)15-24-10-11-25(21(27)17-24)18-7-4-3-5-8-18/h3-5,7-8,14,20H,2,6,9-13,15-17H2,1H3/p+1/t20-/m1/s1